(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol

C8H17NO3 — CID 177187353

IUPAC(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
SMILESCCN1CCO[C@@H]([C@@H](O)CO)C1
InChIInChI=1S/C8H17NO3/c1-2-9-3-4-12-8(5-9)7(11)6-10/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyZZJUVFQFDZSCEO-JGVFFNPUSA-N
MW175.23 g/mol
LogP-0.94
Rot. Bonds3

About (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol

(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol (PubChem CID 177187353) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
PubChem CID177187353
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
SMILESCCN1CCO[C@@H]([C@@H](O)CO)C1
InChIInChI=1S/C8H17NO3/c1-2-9-3-4-12-8(5-9)7(11)6-10/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyZZJUVFQFDZSCEO-JGVFFNPUSA-N
XLogP-0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-methylpentan-1-ol
CID 107892986
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-ol
CID 79666860
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666603
1-(4-propylmorpholin-2-yl)undecan-1-ol
CID 79663521
(2R)-4-ethyl-2-[(1R)-1-methoxyethyl]morpholine
CID 177158500
(4-ethylcyclohexyl)-(4-ethylmorpholin-2-yl)methanol
CID 79666931
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
(4-ethylmorpholin-2-yl)-thiophen-3-ylmethanol
CID 79667022
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666506
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666850

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol (CID 177187353) is (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol is CCN1CCO[C@@H]([C@@H](O)CO)C1.
What is the InChIKey of (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol?
The InChIKey is ZZJUVFQFDZSCEO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-9-3-4-12-8(5-9)7(11)6-10/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol?
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol has a molecular weight of 175.23 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 177187353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).